CID 65396931

1484705-23-8

Structural Information

Molecular Formula
C11H13ClO4S
SMILES
CC(C)(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO4S/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)17(12,14)15/h4-7H,1-3H3
InChIKey
PKQUQVZTYBVWBB-UHFFFAOYSA-N
Compound name
tert-butyl 3-chlorosulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0223 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.029576 155.7
[M+Na]+ 299.011518 164.9
[M-H]- 275.015024 160.2
[M+NH4]+ 294.056123 173.5
[M+K]+ 314.985458 161.4
[M+H-H2O]+ 259.019560 151.5
[M+HCOO]- 321.020501 167.3
[M+CH3COO]- 335.036151 191.9
[M+Na-2H]- 296.996966 159.6
[M]+ 276.02175142 162.7
[M]- 276.02284858 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.